3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine

C16H11ClFN3O2 — CID 141399435

IUPAC3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(N2C=CC(c3cccc(F)c3)=CC2)c(Cl)c1
InChIInChI=1S/C16H11ClFN3O2/c17-15-9-14(21(22)23)10-19-16(15)20-6-4-11(5-7-20)12-2-1-3-13(18)8-12/h1-6,8-10H,7H2
InChIKeyUOZXKOYYDPZPPS-UHFFFAOYSA-N
MW331.73 g/mol
LogP4.20
Rot. Bonds3

About 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine

3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine (PubChem CID 141399435) has the molecular formula C16H11ClFN3O2 and a molecular weight of 331.73 g/mol. Its IUPAC name is 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine.

Molecular Properties

Compound Name3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine
PubChem CID141399435
Molecular FormulaC16H11ClFN3O2
Molecular Weight331.73 g/mol
Exact Mass331.05
IUPAC Name3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(N2C=CC(c3cccc(F)c3)=CC2)c(Cl)c1
InChIInChI=1S/C16H11ClFN3O2/c17-15-9-14(21(22)23)10-19-16(15)20-6-4-11(5-7-20)12-2-1-3-13(18)8-12/h1-6,8-10H,7H2
InChIKeyUOZXKOYYDPZPPS-UHFFFAOYSA-N
XLogP4.20
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.73
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Benzylamino-5-nitropyridine
CID 261542
3-Nitro-2-[4-(3-phenylprop-2-ynylidene)piperidin-1-yl]pyridine
CID 25183673
2-[4-[3-(3-Chlorophenyl)prop-2-ynylidene]piperidin-1-yl]-3-nitropyridine
CID 87550873
1-(2-Fluorophenyl)-4-(3-nitro-2-pyridinyl)piperazine
CID 3272115
1-(2-Fluorophenyl)-4-(5-nitro-2-pyridinyl)piperazine
CID 3591384
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
1-(4-Fluorophenyl)-4-(5-nitropyridin-2-yl)piperazine
CID 3814971
1-(3-Chlorophenyl)-4-(6-nitropyridin-3-yl)piperazine
CID 4781021
3-nitro-N-(2-phenylethyl)-2-Pyridinamine
CID 3739008
N2-(2-chlorobenzyl)-N4-(7-aminoheptyl)-5-nitropyrimidine-2,4-diamine
CID 10000619
(Z)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11222637
(E)-1-(3-chloro-4-fluorophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-methyloxime
CID 11451703

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine?
The IUPAC name of 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine (CID 141399435) is 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine.
What is the SMILES notation for 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine?
The canonical SMILES for 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine is O=[N+]([O-])c1cnc(N2C=CC(c3cccc(F)c3)=CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine?
The InChIKey is UOZXKOYYDPZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3O2/c17-15-9-14(21(22)23)10-19-16(15)20-6-4-11(5-7-20)12-2-1-3-13(18)8-12/h1-6,8-10H,7H2.
What are the key properties of 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine?
3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine has a molecular weight of 331.73 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[4-(3-fluorophenyl)-2H-pyridin-1-yl]-5-nitropyridine is sourced from PubChem (CID 141399435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).